methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate

C17H27IO3Si — CID 11396381

IUPACmethyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1I
InChIInChI=1S/C17H27IO3Si/c1-11(2)22(12(3)4,13(5)6)21-14-8-9-15(16(18)10-14)17(19)20-7/h8-13H,1-7H3
InChIKeyUABZEJZTVYFGKJ-UHFFFAOYSA-N
MW434.39 g/mol
LogP5.63
Rot. Bonds6

About methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate

methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate (PubChem CID 11396381) has the molecular formula C17H27IO3Si and a molecular weight of 434.39 g/mol. Its IUPAC name is methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
PubChem CID11396381
Molecular FormulaC17H27IO3Si
Molecular Weight434.39 g/mol
Exact Mass434.08
IUPAC Namemethyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1I
InChIInChI=1S/C17H27IO3Si/c1-11(2)22(12(3)4,13(5)6)21-14-8-9-15(16(18)10-14)17(19)20-7/h8-13H,1-7H3
InChIKeyUABZEJZTVYFGKJ-UHFFFAOYSA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
CID 13134332
methyl 2-iodo-4-methylsulfonylbenzoate
CID 66877977
2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 86043103
2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
CID 142396089
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809
ethyl 2-butyl-4-tri(propan-2-yl)silyloxybenzoate
CID 91579948
(3,4-dimethylphenoxy)-tri(propan-2-yl)silane
CID 10356220
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate
CID 102129055
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
methyl 2-(bromomethyl)-3-tri(propan-2-yl)silyloxybenzoate
CID 171784733

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate?
The IUPAC name of methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate (CID 11396381) is methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate.
What is the SMILES notation for methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate?
The canonical SMILES for methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate is COC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1I.
What is the InChIKey of methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate?
The InChIKey is UABZEJZTVYFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27IO3Si/c1-11(2)22(12(3)4,13(5)6)21-14-8-9-15(16(18)10-14)17(19)20-7/h8-13H,1-7H3.
What are the key properties of methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate?
methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate has a molecular weight of 434.39 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate is sourced from PubChem (CID 11396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).